6th World Congress on Integrated Computational Materials Engineering (ICME 2022): Applications: Materials Design & Alloy Modification II
Program Organizers: William Joost; Kester Clarke, Los Alamos National Laboratory; Danielle Cote, Worcester Polytechnic Institute; Javier Llorca, IMDEA Materials Institute & Technical University of Madrid; Heather Murdoch, U.S. Army Research Laboratory; Satyam Sahay, John Deere; Michael Sangid, Purdue University

Tuesday 10:30 AM
April 26, 2022
Room: Martis Peak
Location: Hyatt Regency Lake Tahoe

Session Chair: Charles Fisher, Naval Surface Warfare Center - Carderock


10:30 AM Break

10:40 AM  Invited
Design of an Austenitic Steel Weldment System Using ICME: Daniel Bechetti1; Paul Lambert1; Matthew Sinfield1; Charles Fisher1; 1Naval Surface Warfare Center, Carderock Division
    Integrated Computational Materials Engineering (ICME) principles and methods have enabled accelerated development and transition of new materials in many industries. In order to establish and evaluate an ICME framework relevant to the design of naval materials, engineers at Naval Surface Warfare Center, Carderock Division and Naval Research Laboratory are engaged in a program to concurrently develop a base material and welding filler metal system using computational, statistical, and experimental methods. This presentation reports work to date on ICME-enabled investigations of heat affected zone (HAZ) and fusion zone (FZ) process-structure-property relationships in a novel austenitic steel system. Topics covered will include CAluation of PHAse Diagrams (CALPHAD) modeling of solidification behavior and HAZ microstructure evolution under the influence of welding thermal cycles. Experimental validation of simulation results will be reported, and use of validated models to optimize alloy chemistry will be discussed.

11:10 AM  
Data-driven Design, Discovery, and Development (D5)TM of Novel Corrosion-Resistant Coating Alloys for Galvanizing of New Advanced High Strength Steels (AHSS): Rohit Bardapurkar1; Christopher Borg2; John Speer1; Sridhar Seetharaman1; 1Colorado School of Mines; 2Citrine Informatics
    Designing materials to achieve multiple performance requirements simultaneously is an often-time-consuming process due to the enormous number of possible experiments. Advancements in materials informatics seek to reduce the time to realize high-performing materials through data-driven modeling. Building upon these advancements, we apply a Data-Driven Design, Discovery, and Development (D5)TM approach to identify novel corrosion-resistant coating alloys with low liquidus temperature (TL) for galvanizing of new Advanced High Strength Steels (AHSS). Machine-learning (ML) algorithms trained on a database containing TL data (computed via CALPHAD modeling) and experimental corrosion data (collected from the literature) were employed to predict properties of novel coating alloys. A “Materials Selection Map” was developed to visualize the current status of design space and potential future opportunities related to the key performance criteria: corrosion-current (Icorr), corrosion-potential (Ecorr), and TL.

11:30 AM  
CALPHAD-Guided Alloy Design and Processing Approach for Strong and Tough Titanium Boride Based Ceramics & Composites: K. S. Ravi Chandran1; Jun Du1; Ahmed Deghna1; 1University of Utah
     A CALPHAD-guided alloy design strategy is used to design titanium boride (TiB) based ceramics and metal matrix composites. The CALPHAD approach is used (i) in finding the desirable low temperature reaction sintering conditions and (ii) enabling the formation of ductile beta-titanium phase in the microstructure for improved strength and toughness. The SPS sintering and densification of a high strength and high toughness TiB-beta-Ti ceramic (~85% TiB and 15% beta-Ti phase) was completed at a relatively low temperature. The best TiB ceramic composition possesses a very good combination of high average flexure strength (~900 MPa) and high average fracture toughness (~ 9 MPa√m) making it competitive with some of the strong and tough ceramics. Metal matrix composites with a flexure strength of 1622 MPa and fracture toughness of 23 MPa√m were also designed with excellent combination of properties. The microstructural factors that control the strength and toughness are discussed.